3-(4-methoxyphenyl)-N-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-N-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-isobutyl-3-(4-methoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-(2-methylpropyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-isobutyl-4-keto-3-(4-methoxyphenyl)-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H26N4O5S/c1-17(2)15-28-25(32)19-7-12-23-24(14-19)29-27(37-16-18-5-4-6-21(13-18)31(34)35)30(26(23)33)20-8-10-22(36-3)11-9-20/h4-14,17H,15-16H2,1-3H3,(H,28,32)